SCHEMBL12193253

SCHEMBL12193253

Clc1cc(OC2CCN(Cc3ccccc3)CC2)cc2ccncc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 8/20 0.61
▸ ROCK2 O75116 7/20 0.59
▸ CCR2 P41597 2/20 0.56
▸ KCNH2 Q12809 3/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ SCN9A Q15858 2/20 0.46
▸ HRH1 P35367 2/20 0.46
▸ CCR3 P51677 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12193268 0.94 ROCK1 (0.54) ROCK1ROCK2CCR2KCNH2HRH3
SCHEMBL12193244 0.92 ROCK1 (0.52) ROCK1ROCK2CCR2KCNH2MAOA
SCHEMBL12193242 0.91 ROCK1 (0.51) ROCK1ROCK2CCR2KCNH2MAOA
SCHEMBL12193267 0.90 ROCK1 (0.50) ROCK1ROCK2CCR2KCNH2MAOA
SCHEMBL12193264 0.89 ROCK1 (0.49) ROCK1ROCK2CCR2KCNH2HRH3
SCHEMBL12193245 0.89 ROCK1 (0.49) ROCK1ROCK2CCR2KCNH2HRH1
SCHEMBL12193269 0.88 ROCK1 (0.50) ROCK1ROCK2CCR2KCNH2SCN9A
SCHEMBL12193265 0.87 ADRB2 (0.48) ROCK1ROCK2CCR2KCNH2HRH1
SCHEMBL12193215 0.85 HRH3 (0.44) ROCK1ROCK2CCR2KCNH2HRH3
SCHEMBL12193229 0.85 HRH1 (0.44) ROCK1ROCK2KCNH2HRH3OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 — — US disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 — — US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 — — US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 — — US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 — — US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 — — US disclosed
EP-1899322-B1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI AVENTIS (FR) 2009-09-02 — — EP disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 — — US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 — — US disclosed
WO-2007000240-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (DE) 2007-01-04 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110245248-A1 ISOQUINOLINE DERIVATIVES MYLK2, MYLK, RHOT2 ROCK1 7/4885ROCK2 5/4885CCR2 2845/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 ROCK1 7/4885ROCK2 5/4885CCR2 2845/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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